Crystallography Open Database

Information card for entry 1514975

Preview

Coordinates	1514975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H93 Ag3 Cl4 F12 N18 O8 P2
Calculated formula	C71 H93 Ag3 Cl4 F12 N18 O8 P2
SMILES	[Ag]1=C2N3C(=NN2c2cccc(N4N=C5N(C4=[Ag](Cl)=C4N(N=C6N4[C@H](COC6)C(C)C)c4cccc(N6N=C7N(C6=[Ag]=C6N(N=C8N6[C@H](COC8)C(C)C)c6cccc(N8N=C9N(C=18)[C@H](COC9)C(C)C)c6)[C@H](COC7)C(C)C)c4)[C@H](COC5)C(C)C)c2)COC[C@@H]3C(C)C.ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(OCC)C
Title of publication	Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes
Authors of publication	Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	2
Pages of publication	359
a	12.6553 ± 0.0003 Å
b	13.0092 ± 0.0005 Å
c	15.1663 ± 0.0004 Å
α	104.239 ± 0.003°
β	112.9 ± 0.003°
γ	99.765 ± 0.003°
Cell volume	2128.75 ± 0.14 Å³
Cell temperature	150.1 K
Ambient diffraction temperature	150.1 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514975.cif
110831	2014-04-20	cif/ Adding structures of 1514969, 1514970, 1514971, 1514972, 1514973, 1514974, 1514975 via cif-deposit CGI script.	1514975.cif